3-fluorobenzonitrile;hydrochloride

C7H5ClFN — CID 140590350

IUPAC3-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H;1H
InChIKeyHMSSZFNYUFMVIR-UHFFFAOYSA-N
MW157.57 g/mol
LogP2.12
Rot. Bonds

About 3-fluorobenzonitrile;hydrochloride

3-fluorobenzonitrile;hydrochloride (PubChem CID 140590350) has the molecular formula C7H5ClFN and a molecular weight of 157.57 g/mol. Its IUPAC name is 3-fluorobenzonitrile;hydrochloride.

Molecular Properties

Compound Name3-fluorobenzonitrile;hydrochloride
PubChem CID140590350
Molecular FormulaC7H5ClFN
Molecular Weight157.57 g/mol
Exact Mass157.01
IUPAC Name3-fluorobenzonitrile;hydrochloride
SMILESCl.N#Cc1cccc(F)c1
InChIInChI=1S/C7H4FN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H;1H
InChIKeyHMSSZFNYUFMVIR-UHFFFAOYSA-N
XLogP2.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.57
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobenzonitrile;hydrochloride?
The IUPAC name of 3-fluorobenzonitrile;hydrochloride (CID 140590350) is 3-fluorobenzonitrile;hydrochloride.
What is the SMILES notation for 3-fluorobenzonitrile;hydrochloride?
The canonical SMILES for 3-fluorobenzonitrile;hydrochloride is Cl.N#Cc1cccc(F)c1.
What is the InChIKey of 3-fluorobenzonitrile;hydrochloride?
The InChIKey is HMSSZFNYUFMVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H;1H.
What are the key properties of 3-fluorobenzonitrile;hydrochloride?
3-fluorobenzonitrile;hydrochloride has a molecular weight of 157.57 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobenzonitrile;hydrochloride is sourced from PubChem (CID 140590350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).